ethyl 4-(4-fluorophenyl)-2-methyl-5-[2-oxidanylidene-2-(pentylamino)ethanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 4-(4-fluorophenyl)-2-methyl-5-[2-oxidanylidene-2-(pentylamino)ethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-(4-fluorophenyl)-2-methyl-5-[2-oxo-2-(pentylamino)acetyl]-1H-pyrrole-3-carboxylate CAS Name: 5-[1,2-dioxo-2-(pentylamino)ethyl]-4-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-fluorophenyl)-2-methyl-5-[2-oxo-2-(pentylamino)acetyl]-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-(amylamino)-2-keto-acetyl]-4-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H25FN2O4 MolecularWeight: 388.432603

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C(=O)C1=C(C(=C(N1)C)C(=O)OCC)C2=CC=C(C=C2)F

Isomeric SMILES

CCCCCNC(=O)C(=O)C1=C(C(=C(N1)C)C(=O)OCC)C2=CC=C(C=C2)F

InChI

InChI=1S/C21H25FN2O4/c1-4-6-7-12-23-20(26)19(25)18-17(14-8-10-15(22)11-9-14)16(13(3)24-18)21(27)28-5-2/h8-11,24H,4-7,12H2,1-3H3,(H,23,26)